Geometry & MOs

Info

ID:	380542
PubChem CID:	134971023
Reduced:	SN2O5C14H17 (2)
Stoich.:	AB2C5D14E17 (2)
Weight, g/mol:	338.111401
ΔH_f, kcal/mol:	-399.58
Dipole, Da:	4.27
IP(EA), eV:	-9.82(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[[(1S)-1-carboxyethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)[C@@H](CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations